azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate

C19H15ClN4O2 — CID 53241016

IUPACazanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
SMILESO=C([O-])c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.[NH4+]
InChIInChI=1S/C19H12ClN3O2.H3N/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18;/h1-10H,(H,22,23)(H,24,25);1H3
InChIKeyFBMRKGCVUQCPQQ-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.92
Rot. Bonds3

About azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate

azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate (PubChem CID 53241016) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate.

Molecular Properties

Compound Nameazanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
PubChem CID53241016
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Nameazanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
SMILESO=C([O-])c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.[NH4+]
InChIInChI=1S/C19H12ClN3O2.H3N/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18;/h1-10H,(H,22,23)(H,24,25);1H3
InChIKeyFBMRKGCVUQCPQQ-UHFFFAOYSA-N
XLogP3.92
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate?
The IUPAC name of azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate (CID 53241016) is azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate.
What is the SMILES notation for azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate?
The canonical SMILES for azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate is O=C([O-])c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.[NH4+].
What is the InChIKey of azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate?
The InChIKey is FBMRKGCVUQCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2.H3N/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18;/h1-10H,(H,22,23)(H,24,25);1H3.
What are the key properties of azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate?
azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate has a molecular weight of 366.81 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate is sourced from PubChem (CID 53241016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).